| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 11th, 2010 | 19 | Yes |
Popular Name: N-[(2S)-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-phenyl-ethyl]propan-2-amine N-[(2S)-2-(3,5-dimethyl-1,2,4-tr…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.68 | 8.55 | -43.96 | 2 | 4 | 1 | 47 | 259.377 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.68 | 7.55 | -6.79 | 1 | 4 | 0 | 43 | 258.369 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 1.68 | 8.98 | -96.07 | 3 | 4 | 2 | 49 | 260.385 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
